cell_volume         :real:0:
  0.989881285956409E+005
orbital_charges     :real:2:4,112
  0.117439442196997E+001  0.100008949189059E+001  0.913357519584446E+000
  0.912341196249177E+000  0.117458681930897E+001  0.100006623586014E+001
  0.912301141503355E+000  0.913775296822586E+000  0.117439422561119E+001
  0.100008898445792E+001  0.913357334222373E+000  0.912340993620319E+000
  0.117458791453826E+001  0.100006915726737E+001  0.912302217637777E+000
  0.913776385288551E+000  0.117441427897745E+001  0.100002435456214E+001
  0.912404497598075E+000  0.913339677405625E+000  0.117438771278870E+001
  0.100059632808294E+001  0.913243838695483E+000  0.912444938035590E+000
  0.117441436430942E+001  0.100002446906410E+001  0.912404523359397E+000
  0.913339819432316E+000  0.117438767482671E+001  0.100059597192483E+001
  0.913243807634413E+000  0.912444897070905E+000  0.117437490514880E+001
  0.100075170048536E+001  0.913159576961085E+000  0.912503180262226E+000
  0.117439819833528E+001  0.100012122255143E+001  0.912484726105674E+000
  0.913224889950213E+000  0.117437490417337E+001  0.100075168792145E+001
  0.913159576055601E+000  0.912503179280247E+000  0.117439821452824E+001
  0.100012126611597E+001  0.912484729516898E+000  0.913224918525583E+000
  0.117439052202558E+001  0.100021702366531E+001  0.912538148464690E+000
  0.913155539010132E+000  0.117437208448098E+001  0.100081549101942E+001
  0.913104488118581E+000  0.912552322298127E+000  0.117439052242726E+001
  0.100021702551840E+001  0.912538148594248E+000  0.913155539655137E+000
  0.117437208715747E+001  0.100081545366106E+001  0.913104491111453E+000
  0.912552324600533E+000  0.117437308126020E+001  0.100084782069309E+001
  0.913057611832607E+000  0.912601155239963E+000  0.117438778844098E+001
  0.100033016533001E+001  0.912584707260463E+000  0.913103362767531E+000
  0.117437308134827E+001  0.100084781945570E+001  0.913057611930620E+000
  0.912601155316128E+000  0.117438778866415E+001  0.100033017044623E+001
  0.912584708439131E+000  0.913103362041839E+000  0.117438683209597E+001
  0.100045740329030E+001  0.912631636991458E+000  0.913054568384099E+000
  0.117437620419271E+001  0.100086340596844E+001  0.913010964577910E+000
  0.912654121963917E+000  0.117438683210118E+001  0.100045740348151E+001
  0.912631637027428E+000  0.913054568358668E+000  0.117437620487920E+001
  0.100086339764222E+001  0.913010965353508E+000  0.912654122550403E+000
  0.117438001190800E+001  0.100086163711220E+001  0.912960267589721E+000
  0.912712536366703E+000  0.117438671744626E+001  0.100059133147222E+001
  0.912682847059436E+000  0.913003249777170E+000  0.117438001192836E+001
  0.100086163686324E+001  0.912960267612584E+000  0.912712536384040E+000
  0.117438671749941E+001  0.100059133240326E+001  0.912682847352423E+000
  0.913003249593940E+000  0.117438619890872E+001  0.100072056397329E+001
  0.912738544934911E+000  0.912946637440633E+000  0.117438344621963E+001
  0.100083751625623E+001  0.912904982708862E+000  0.912774766024443E+000
  0.117438619891035E+001  0.100072056400044E+001  0.912738544943485E+000
  0.912946637435202E+000  0.117438344639679E+001  0.100083751418212E+001
  0.912904982915339E+000  0.912774766169692E+000  0.117438657945006E+001
  0.100079073289989E+001  0.912847079595349E+000  0.912838962422930E+000
  0.117438461494440E+001  0.100083785829398E+001  0.912796669155848E+000
  0.912885433924536E+000  0.117438657945529E+001  0.100079073284365E+001
  0.912847079601674E+000  0.912838962426778E+000  0.117438461497652E+001
  0.100083785829941E+001  0.912796669251900E+000  0.912885433893443E+000
  0.117438229579871E+001  0.100094140429722E+001  0.912855823188367E+000
  0.912821689416759E+000  0.117438930022686E+001  0.100072387941552E+001
  0.912787991355308E+000  0.912903490997494E+000  0.117438229580084E+001
  0.100094140428250E+001  0.912855823192338E+000  0.912821689416843E+000
  0.117438930027944E+001  0.100072387894410E+001  0.912787991438271E+000
  0.912903491019445E+000  0.117439224254891E+001  0.100064298038781E+001
  0.912728758763233E+000  0.912968587883925E+000  0.117437969539242E+001
  0.100103147556565E+001  0.912915111588344E+000  0.912757228880420E+000
  0.117439224255063E+001  0.100064298038284E+001  0.912728758767485E+000
  0.912968587882929E+000  0.117437969546513E+001  0.100103147481057E+001
  0.912915111686622E+000  0.912757228926852E+000  0.117437754141201E+001
  0.100110639852079E+001  0.912975506450747E+000  0.912692532263753E+000
  0.117439472783359E+001  0.100054909546104E+001  0.912668413073409E+000
  0.913033866213372E+000  0.117437754141938E+001  0.100110639843769E+001
  0.912975506459300E+000  0.912692532269627E+000  0.117439472786602E+001
  0.100054909563924E+001  0.912668413197140E+000  0.913033866155714E+000
  0.117439645479880E+001  0.100044162767057E+001  0.912608038234638E+000
  0.913097615816032E+000  0.117437502260659E+001  0.100115891739845E+001
  0.913035776245496E+000  0.912627203225117E+000  0.117439645480075E+001
  0.100044162771442E+001  0.912608038246673E+000  0.913097615807851E+000
  0.117437502286380E+001  0.100115891435633E+001  0.913035776540348E+000
  0.912627203440739E+000  0.117437223039843E+001  0.100118561462277E+001
  0.913094494390724E+000  0.912562831211405E+000  0.117439713764625E+001
  0.100032205869697E+001  0.912549030812860E+000  0.913157878877378E+000
  0.117437223042787E+001  0.100118561426189E+001  0.913094494423723E+000
  0.912562831236621E+000  0.117439713772008E+001  0.100032206008884E+001
  0.912549031234926E+000  0.913157878608039E+000  0.117439752085213E+001
  0.100019763194357E+001  0.912493342236008E+000  0.913214236672211E+000
  0.117436913254685E+001  0.100118615603802E+001  0.913149821409895E+000
  0.912501219147737E+000  0.117439752085945E+001  0.100019763222356E+001
  0.912493342288166E+000  0.913214236634983E+000  0.117436913354475E+001
  0.100118614392525E+001  0.913149822536092E+000  0.912501220001371E+000
  0.117436694716968E+001  0.100116487129409E+001  0.913202777067994E+000
  0.912443848341024E+000  0.117439907179777E+001  0.100008021727990E+001
  0.912440341416917E+000  0.913270341550067E+000  0.117436694729789E+001
  0.100116486949770E+001  0.913202777210659E+000  0.912443848452007E+000
  0.117439907211975E+001  0.100008022470146E+001  0.912440343126405E+000
  0.913270340494429E+000  0.117440306589765E+001  0.999977365905115E+000
  0.912384935597708E+000  0.913334006285293E+000  0.117436746580279E+001
  0.100112042858139E+001  0.913258934724494E+000  0.912388832496367E+000
  0.117440306648344E+001  0.999977368607693E+000  0.912384935785633E+000
  0.913334007226999E+000  0.117436746968978E+001  0.100112037429640E+001
  0.913258939070222E+000  0.912388835840766E+000  0.117437309218785E+001
  0.100103148605511E+001  0.913329090709882E+000  0.912330404811552E+000
  0.117441406942852E+001  0.999892712623844E+000  0.912317410854703E+000
  0.913424416342649E+000  0.117437309076234E+001  0.100103146774774E+001
  0.913329089386283E+000  0.912330403377118E+000  0.117441409304248E+001
  0.999892776058345E+000  0.912317415830201E+000  0.913424458007306E+000
  0.117443793627125E+001  0.999802670877203E+000  0.912209539157339E+000
  0.913583542588069E+000  0.117439294200600E+001  0.100081341495728E+001
  0.913443103106875E+000  0.912256712583336E+000  0.117443806061797E+001
  0.999802837748589E+000  0.912209576696410E+000  0.913583749525256E+000
  0.117439288665344E+001  0.100081289669913E+001  0.913443057808530E+000
  0.912256652847514E+000  0.117440533000887E+001  0.100009201456102E+001
  0.913604261050032E+000  0.912115275144247E+000  0.117468878332709E+001
  0.999908166172783E+000  0.912063774983403E+000  0.914212444599686E+000
  0.117440504390336E+001  0.100009127513246E+001  0.913603990956655E+000
  0.912114979899929E+000  0.117469037872889E+001  0.999912422295075E+000
  0.912065342560722E+000  0.914214030246976E+000  0.117441054045521E+001
  0.912976860085523E+000  0.999999999999979E+000  0.912612599459232E+000
  0.117441054045530E+001  0.912976860085491E+000  0.100000000000002E+001
  0.912612599459242E+000  0.117441054045530E+001  0.912976860085491E+000
  0.100000000000002E+001  0.912612599459242E+000  0.117441054045521E+001
  0.912976860085523E+000  0.999999999999979E+000  0.912612599459232E+000
  0.117441054045521E+001  0.912976860085524E+000  0.999999999999980E+000
  0.912612599459231E+000  0.117441054045530E+001  0.912976860085491E+000
  0.100000000000002E+001  0.912612599459243E+000  0.117441054045531E+001
  0.912976860085492E+000  0.100000000000002E+001  0.912612599459242E+000
  0.117441054045521E+001  0.912976860085523E+000  0.999999999999978E+000
  0.912612599459233E+000  0.117441054045521E+001  0.912976860085524E+000
  0.999999999999980E+000  0.912612599459232E+000  0.117441054045530E+001
  0.912976860085491E+000  0.100000000000002E+001  0.912612599459243E+000
  0.117441054045530E+001  0.912976860085492E+000  0.100000000000002E+001
  0.912612599459243E+000  0.117441054045521E+001  0.912976860085523E+000
  0.999999999999980E+000  0.912612599459233E+000  0.117441054045521E+001
  0.912976860085523E+000  0.999999999999980E+000  0.912612599459232E+000
  0.117441054045530E+001  0.912976860085491E+000  0.100000000000002E+001
  0.912612599459242E+000  0.117441054045530E+001  0.912976860085491E+000
  0.100000000000002E+001  0.912612599459242E+000  0.117441054045521E+001
  0.912976860085523E+000  0.999999999999979E+000  0.912612599459231E+000
  0.116213113177427E+001  0.932743465389361E+000  0.999999999999985E+000
  0.905125402836339E+000  0.116213113177435E+001  0.932743465389342E+000
  0.100000000000002E+001  0.905125402836341E+000  0.116213113177435E+001
  0.932743465389341E+000  0.100000000000002E+001  0.905125402836342E+000
  0.116213113177427E+001  0.932743465389361E+000  0.999999999999984E+000
  0.905125402836339E+000  0.116213113177427E+001  0.932743465389361E+000
  0.999999999999984E+000  0.905125402836339E+000  0.116213113177435E+001
  0.932743465389342E+000  0.100000000000002E+001  0.905125402836340E+000
  0.116213113177435E+001  0.932743465389342E+000  0.100000000000002E+001
  0.905125402836342E+000  0.116213113177427E+001  0.932743465389360E+000
  0.999999999999985E+000  0.905125402836340E+000  0.116213113177427E+001
  0.932743465389360E+000  0.999999999999984E+000  0.905125402836340E+000
  0.116213113177435E+001  0.932743465389342E+000  0.100000000000002E+001
  0.905125402836341E+000  0.116213113177435E+001  0.932743465389341E+000
  0.100000000000002E+001  0.905125402836341E+000  0.116213113177427E+001
  0.932743465389360E+000  0.999999999999985E+000  0.905125402836338E+000
  0.116213113177427E+001  0.932743465389360E+000  0.999999999999984E+000
  0.905125402836341E+000  0.116213113177435E+001  0.932743465389341E+000
  0.100000000000002E+001  0.905125402836341E+000  0.116213113177435E+001
  0.932743465389341E+000  0.100000000000002E+001  0.905125402836341E+000
  0.116213113177427E+001  0.932743465389360E+000  0.999999999999984E+000
  0.905125402836339E+000
total_energy        :real:0:
 -0.138811120591506E+003
end_coords          :real:2:3,112
 -0.134170545189104E+001  0.000000000000000E+000 -0.232390201146762E+001
 -0.268341090378207E+001  0.000000000000000E+000  0.000000000000000E+000
 -0.134170545189104E+001  0.000000000000000E+000  0.232390201146762E+001
 -0.268341090378207E+001  0.000000000000000E+000  0.464780402293523E+001
  0.134170545189104E+001  0.000000000000000E+000 -0.232390201146762E+001
  0.268341090378207E+001  0.000000000000000E+000  0.000000000000000E+000
  0.134170545189104E+001  0.000000000000000E+000  0.232390201146762E+001
  0.268341090378207E+001  0.000000000000000E+000  0.464780402293523E+001
  0.670852725945518E+001  0.000000000000000E+000 -0.232390201146762E+001
  0.536682180756414E+001  0.000000000000000E+000  0.000000000000000E+000
  0.670852725945518E+001  0.000000000000000E+000  0.232390201146762E+001
  0.536682180756414E+001  0.000000000000000E+000  0.464780402293523E+001
  0.939193816323725E+001  0.000000000000000E+000 -0.232390201146762E+001
  0.107336436151283E+002  0.000000000000000E+000  0.000000000000000E+000
  0.939193816323725E+001  0.000000000000000E+000  0.232390201146762E+001
  0.107336436151283E+002  0.000000000000000E+000  0.464780402293523E+001
  0.147587599708014E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.134170545189104E+002  0.000000000000000E+000  0.000000000000000E+000
  0.147587599708014E+002  0.000000000000000E+000  0.232390201146762E+001
  0.134170545189104E+002  0.000000000000000E+000  0.464780402293523E+001
  0.174421708745835E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.187838763264745E+002  0.000000000000000E+000  0.000000000000000E+000
  0.174421708745835E+002  0.000000000000000E+000  0.232390201146762E+001
  0.187838763264745E+002  0.000000000000000E+000  0.464780402293523E+001
  0.228089926821476E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.214672872302566E+002  0.000000000000000E+000  0.000000000000000E+000
  0.228089926821476E+002  0.000000000000000E+000  0.232390201146762E+001
  0.214672872302566E+002  0.000000000000000E+000  0.464780402293523E+001
  0.254924035859297E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.268341090378207E+002  0.000000000000000E+000  0.000000000000000E+000
  0.254924035859297E+002  0.000000000000000E+000  0.232390201146762E+001
  0.268341090378207E+002  0.000000000000000E+000  0.464780402293523E+001
  0.308592253934938E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.295175199416028E+002  0.000000000000000E+000  0.000000000000000E+000
  0.308592253934938E+002  0.000000000000000E+000  0.232390201146762E+001
  0.295175199416028E+002  0.000000000000000E+000  0.464780402293523E+001
  0.335426362972759E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.348843417491669E+002  0.000000000000000E+000  0.000000000000000E+000
  0.335426362972759E+002  0.000000000000000E+000  0.232390201146762E+001
  0.348843417491669E+002  0.000000000000000E+000  0.464780402293523E+001
  0.389094581048400E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.375677526529490E+002  0.000000000000000E+000  0.000000000000000E+000
  0.389094581048400E+002  0.000000000000000E+000  0.232390201146762E+001
  0.375677526529490E+002  0.000000000000000E+000  0.464780402293523E+001
  0.415928690086221E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.429345744605131E+002  0.000000000000000E+000  0.000000000000000E+000
  0.415928690086221E+002  0.000000000000000E+000  0.232390201146762E+001
  0.429345744605131E+002  0.000000000000000E+000  0.464780402293523E+001
  0.469596908161862E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.456179853642952E+002  0.000000000000000E+000  0.000000000000000E+000
  0.469596908161862E+002  0.000000000000000E+000  0.232390201146762E+001
  0.456179853642952E+002  0.000000000000000E+000  0.464780402293523E+001
  0.496431017199683E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.509848071718594E+002  0.000000000000000E+000  0.000000000000000E+000
  0.496431017199683E+002  0.000000000000000E+000  0.232390201146762E+001
  0.509848071718594E+002  0.000000000000000E+000  0.464780402293523E+001
  0.550099235275325E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.536682180756414E+002  0.000000000000000E+000  0.000000000000000E+000
  0.550099235275325E+002  0.000000000000000E+000  0.232390201146762E+001
  0.536682180756414E+002  0.000000000000000E+000  0.464780402293523E+001
  0.576933344313145E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.590350398832056E+002  0.000000000000000E+000  0.000000000000000E+000
  0.576933344313145E+002  0.000000000000000E+000  0.232390201146762E+001
  0.590350398832056E+002  0.000000000000000E+000  0.464780402293523E+001
  0.630601562388787E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.617184507869876E+002  0.000000000000000E+000  0.000000000000000E+000
  0.630601562388787E+002  0.000000000000000E+000  0.232390201146762E+001
  0.617184507869876E+002  0.000000000000000E+000  0.464780402293523E+001
  0.657435671426607E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.670852725945518E+002  0.000000000000000E+000  0.000000000000000E+000
  0.657435671426607E+002  0.000000000000000E+000  0.232390201146762E+001
  0.670852725945518E+002  0.000000000000000E+000  0.464780402293523E+001
  0.711103889502249E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.697686834983339E+002  0.000000000000000E+000  0.000000000000000E+000
  0.711103889502249E+002  0.000000000000000E+000  0.232390201146762E+001
  0.697686834983339E+002  0.000000000000000E+000  0.464780402293523E+001
  0.737937998540069E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.751355053058980E+002  0.000000000000000E+000  0.000000000000000E+000
  0.737937998540069E+002  0.000000000000000E+000  0.232390201146762E+001
  0.751355053058980E+002  0.000000000000000E+000  0.464780402293523E+001
  0.791606216615711E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.778189162096801E+002  0.000000000000000E+000  0.000000000000000E+000
  0.791606216615711E+002  0.000000000000000E+000  0.232390201146762E+001
  0.778189162096801E+002  0.000000000000000E+000  0.464780402293523E+001
  0.818440325653532E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.831857380172442E+002  0.000000000000000E+000  0.000000000000000E+000
  0.818440325653532E+002  0.000000000000000E+000  0.232390201146762E+001
  0.831857380172442E+002  0.000000000000000E+000  0.464780402293523E+001
  0.872108543729173E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.858691489210263E+002  0.000000000000000E+000  0.000000000000000E+000
  0.872108543729173E+002  0.000000000000000E+000  0.232390201146762E+001
  0.858691489210263E+002  0.000000000000000E+000  0.464780402293523E+001
  0.898942652766994E+002  0.000000000000000E+000 -0.232390201146762E+001
  0.912359707285904E+002  0.000000000000000E+000  0.000000000000000E+000
  0.898942652766994E+002  0.000000000000000E+000  0.232390201146762E+001
  0.912359707285904E+002  0.000000000000000E+000  0.464780402293523E+001
 -0.939193816323725E+001  0.000000000000000E+000 -0.232390201146762E+001
 -0.107336436151283E+002  0.000000000000000E+000  0.000000000000000E+000
 -0.939193816323725E+001  0.000000000000000E+000  0.232390201146762E+001
 -0.107336436151283E+002  0.000000000000000E+000  0.464780402293523E+001
 -0.670852725945518E+001  0.000000000000000E+000 -0.232390201146762E+001
 -0.536682180756414E+001  0.000000000000000E+000  0.000000000000000E+000
 -0.670852725945518E+001  0.000000000000000E+000  0.232390201146762E+001
 -0.536682180756414E+001  0.000000000000000E+000  0.464780402293523E+001
 -0.174421708745835E+002  0.000000000000000E+000 -0.232390201146762E+001
 -0.187838763264745E+002  0.000000000000000E+000  0.000000000000000E+000
 -0.174421708745835E+002  0.000000000000000E+000  0.232390201146762E+001
 -0.187838763264745E+002  0.000000000000000E+000  0.464780402293523E+001
 -0.147587599708014E+002  0.000000000000000E+000 -0.232390201146762E+001
 -0.134170545189104E+002  0.000000000000000E+000  0.000000000000000E+000
 -0.147587599708014E+002  0.000000000000000E+000  0.232390201146762E+001
 -0.134170545189104E+002  0.000000000000000E+000  0.464780402293523E+001
total_tunneling     :real:2:96,1
  0.639155002026062E+000  0.603582502624217E+000  0.572476751910778E+000
  0.548191699709351E+000  0.530691125140569E+000  0.518696717769524E+000
  0.510670067976485E+000  0.505236484517889E+000  0.500457696222776E+000
  0.499793043545803E+000  0.499659222131837E+000  0.499550133834249E+000
  0.499507874861490E+000  0.499542602921810E+000  0.499545888888729E+000
  0.499126790442523E+000  0.497338783605428E+000  0.492313695302738E+000
  0.481044917287268E+000  0.460049031076275E+000  0.427777730439622E+000
  0.387615631389615E+000  0.347242117531332E+000  0.313525737222602E+000
  0.288894774512586E+000  0.272190793071822E+000  0.261023739794337E+000
  0.253165548666322E+000  0.246873249187850E+000  0.240628574319223E+000
  0.236273999100985E+000  0.230603475558183E+000  0.223404639306113E+000
  0.214509603539515E+000  0.203806792868697E+000  0.191261202785455E+000
  0.176927557105193E+000  0.160952613101218E+000  0.143560769198214E+000
  0.125021559707162E+000  0.105596120465659E+000  0.854498932778394E-001
  0.644672048708172E-001  0.415661847245161E-001  0.158150618332534E-002
  0.100274226681494E-003  0.441846544721068E-004  0.232906467923383E-004
  0.118921831539340E-004  0.389777389658963E-006  0.288356294284286E-007
  0.145604061305066E-007  0.945142817006594E-008  0.700808179178910E-008
  0.569588023379391E-008  0.497555145809021E-008  0.462159959195021E-008
  0.453723342810197E-008  0.469314915044924E-008  0.510907601804212E-008
  0.585765131770235E-008  0.709044883853455E-008  0.910226130569202E-008
  0.124818643628975E-007  0.184890643021979E-007  0.301092973511576E-007
  0.555060222131155E-007  0.122198261512151E-006  0.360657221129544E-006
  0.202529665813351E-005  0.721270473954560E-002  0.809134187146419E-005
  0.225599298995082E-003  0.379684957331877E-003  0.576898828029483E-003
  0.980919552247046E-003  0.241700293639098E-002  0.166626959031538E+000
  0.218453240591651E+000  0.235621076762892E+000  0.242934330594344E+000
  0.246189900973428E+000  0.247573055838506E+000  0.248071950133071E+000
  0.248268939539207E+000  0.248127582513741E+000  0.248058910793667E+000
  0.248028565366387E+000  0.248281473062841E+000  0.248830660430302E+000
  0.249637227596406E+000  0.250452773872287E+000  0.252231512033446E+000
  0.413448038506447E+000  0.455647848036238E+000  0.473429484496790E+000
